[(2Z)-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methylidene]-1-(phosphonooxymethyl)cyclopropyl]methyl ethanoate

Systemtic Name: [(2Z)-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methylidene]-1-(phosphonooxymethyl)cyclopropyl]methyl ethanoate Openeye Name: [(2Z)-2-[(2-amino-6-oxo-3H-purin-9-yl)methylene]-1-(phosphonooxymethyl)cyclopropyl]methyl acetate CAS Name: acetic acid [(2Z)-2-[(2-amino-6-oxo-3H-purin-9-yl)methylidene]-1-(phosphonooxymethyl)cyclopropyl]methyl ester IUPAC Name: [(2Z)-2-[(2-amino-6-oxo-3H-purin-9-yl)methylidene]-1-(phosphonooxymethyl)cyclopropyl]methyl acetate Traditional Name: acetic acid [(2Z)-2-[(2-amino-6-keto-3H-purin-9-yl)methylene]-1-(phosphonooxymethyl)cyclopropyl]methyl ester Formula: C13H16N5O7P MolecularWeight: 385.269201

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CC1=CN2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)O

Isomeric SMILES

CC(=O)OCC\1(C/C1=C/N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)O

InChI

InChI=1S/C13H16N5O7P/c1-7(19)24-4-13(5-25-26(21,22)23)2-8(13)3-18-6-15-9-10(18)16-12(14)17-11(9)20/h3,6H,2,4-5H2,1H3,(H2,21,22,23)(H3,14,16,17,20)/b8-3-